3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione

C14H13Cl3N2O2 — CID 64962108

IUPAC3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H13Cl3N2O2/c1-14(7-2-3-7)13(21)19(6-12(20)18-14)11-5-9(16)8(15)4-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,20)
InChIKeyXRHOUBXSWOMRJR-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.28
Rot. Bonds2

About 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione (PubChem CID 64962108) has the molecular formula C14H13Cl3N2O2 and a molecular weight of 347.63 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
PubChem CID64962108
Molecular FormulaC14H13Cl3N2O2
Molecular Weight347.63 g/mol
Exact Mass346.00
IUPAC Name3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H13Cl3N2O2/c1-14(7-2-3-7)13(21)19(6-12(20)18-14)11-5-9(16)8(15)4-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,20)
InChIKeyXRHOUBXSWOMRJR-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
1-(2-chloro-4-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64961517
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione (CID 64962108) is 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The InChIKey is XRHOUBXSWOMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O2/c1-14(7-2-3-7)13(21)19(6-12(20)18-14)11-5-9(16)8(15)4-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione has a molecular weight of 347.63 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64962108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).